CID 473728

1',5'-diphenylspiro[cyclohexane-1,2'-imidazo[4,5-b]phenazine]

Structural Information

Molecular Formula
C30H26N4
SMILES
C1CCC2(CC1)N=C3C=C4C(=NC5=CC=CC=C5N4C6=CC=CC=C6)C=C3N2C7=CC=CC=C7
InChI
InChI=1S/C30H26N4/c1-4-12-22(13-5-1)33-27-17-9-8-16-24(27)31-25-20-29-26(21-28(25)33)32-30(18-10-3-11-19-30)34(29)23-14-6-2-7-15-23/h1-2,4-9,12-17,20-21H,3,10-11,18-19H2
InChIKey
QHOCYRMWAGCIIQ-UHFFFAOYSA-N
Compound name
1',5'-diphenylspiro[cyclohexane-1,2'-imidazo[4,5-b]phenazine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.21576 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.22304 211.7
[M+Na]+ 465.20498 219.3
[M-H]- 441.20848 219.4
[M+NH4]+ 460.24958 220.4
[M+K]+ 481.17892 208.1
[M+H-H2O]+ 425.21302 194.5
[M+HCOO]- 487.21396 222.1
[M+CH3COO]- 501.22961 217.7
[M+Na-2H]- 463.19043 214.7
[M]+ 442.21521 206.7
[M]- 442.21631 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.